BDBM50306735 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate::CHEMBL589766::Isopropyl 8-Fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)-benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

SMILES CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5

InChI Key InChIKey=PIVQVFFIZHFKHL-UHFFFAOYSA-N

Data  1 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306735   

TargetBile acid receptor(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50306735(1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morph...)
Affinity DataEC50:  88nMAssay Description:Agonist activity at human FXR-LBD expressed in HEL293 cells by Gal4-luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBile acid receptor(Mouse)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50306735(1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morph...)
Affinity DataEC50:  52nMAssay Description:Agonist activity at mouse FXR-LBD expressed in HEL293 cells by Gal4-luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50306735(1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morph...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed